Band shape of photoelectron spectrum and potential energy curve for alkylamine.
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概要
- 論文の詳細を見る
Accurate measurements of UPS and ab initio potential energy calculations have been carried out for ammonia and several alkylamines to interpret the band shape of the UPS. Theoretical photoelectron band shape was obtained by a simple Franck–Condon approach. The calculation predicted very well the alkyl substitution effects on the ionization potentials and on the band widths of the first bands in UPS for the alkylamines. The following conclusions were obtained by comparing these theoretical photoelectron bands with experimental ones. The threshold ionization potential observed in the UPS is not always thermodynamically adiabatic ionization energy, but it can be subject to hot bands. Adiabatic ionization potential <I>I</I><SUB>Pa</SUB> of ammonia is concluded to be 10.08 eV. And the values of <I>I</I><SUB>Pa</SUB> for a series of alkylamines are evaluated by taking account of molecular vibrational frequency for the neutral state.
- 公益社団法人 日本化学会の論文
著者
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Takahashi Masao
Department Of Cardiovascular Medicine Graduate School Of Medicine University Of Tokyo
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Watanabe Iwao
Department Of Anesthesilogy Takasaki National Hospital
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Ikeda Shigero
Department Of Chemistry Faculty Of Science Osaka University
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